N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide

C23H25N7O — CID 57389881

IUPACN-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1cc(-c2cccc(C)n2)cn1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H25N7O/c1-4-28(12-13-29-16-19(15-26-29)21-7-5-6-18(3)27-21)23(31)20-14-17(2)8-9-22(20)30-24-10-11-25-30/h5-11,14-16H,4,12-13H2,1-3H3
InChIKeyXDKRWFICHYQKNH-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.30
Rot. Bonds7

About N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide

N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 57389881) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID57389881
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1cc(-c2cccc(C)n2)cn1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H25N7O/c1-4-28(12-13-29-16-19(15-26-29)21-7-5-6-18(3)27-21)23(31)20-14-17(2)8-9-22(20)30-24-10-11-25-30/h5-11,14-16H,4,12-13H2,1-3H3
InChIKeyXDKRWFICHYQKNH-UHFFFAOYSA-N
XLogP3.30
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 57389881) is N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide is CCN(CCn1cc(-c2cccc(C)n2)cn1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is XDKRWFICHYQKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-4-28(12-13-29-16-19(15-26-29)21-7-5-6-18(3)27-21)23(31)20-14-17(2)8-9-22(20)30-24-10-11-25-30/h5-11,14-16H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-[2-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57389881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).